SCHEMBL9883161

SCHEMBL9883161

CNCCC(CC(C)C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.48
SLC6A2 P23975 10/20 0.48
SLC6A3 Q01959 10/20 0.48
CYP2D6 P10635 7/20 0.47
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 6/20 0.42
KCNH2 Q12809 6/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13074863 0.84 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3CYP2D6ALDH1A1
SCHEMBL6770906 0.84 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL759261 0.83 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3CYP2D6ALDH1A1
SCHEMBL9880971 0.82 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3CYP2D6ALDH1A1
SCHEMBL4716938 0.80 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3CYP2D6ALDH1A1
SCHEMBL6770900 0.77 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3CYP2D6ALDH1A1
SCHEMBL6770904 0.77 ALDH1A1 (0.46) SLC6A4SLC6A2SLC6A3CYP2D6ALDH1A1
SCHEMBL24303162 0.76 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3CYP2D6ALDH1A1
SCHEMBL16649650 0.76 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3CYP2D6ALDH1A1
SCHEMBL16650025 0.76 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3CYP2D6ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 SLC6A4 3/4885SLC6A2 1/4885SLC6A3 15/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.